data_global
_chemical_name_mineral 'Trimounsite-(Y)'
loop_
_publ_author_name
'Kolitsch U'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 13 
_journal_year 2001
_journal_page_first 761
_journal_page_last 768
_publ_section_title
;
 The crystal structure of trimounsite-(Y), (Y,REE)2Ti2SiO9:
 an unusual TiO6-based titanate chain
;
_database_code_amcsd 0006894
_chemical_formula_sum '(Y1.534 Er.466) Ti2 Si O9'
_cell_length_a 12.293
_cell_length_b 11.124
_cell_length_c 4.8610
_cell_angle_alpha 90
_cell_angle_beta 95.69
_cell_angle_gamma 90
_cell_volume 661.454
_exptl_crystal_density_diffrn      4.842
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Y1   0.57800   0.86180  -0.01444   0.76400   0.01328
Er1   0.57800   0.86180  -0.01444   0.23600   0.01328
Y2  -0.06934   0.85876   0.05361   0.77000   0.01330
Er2  -0.06934   0.85876   0.05361   0.23000   0.01330
Ti1   0.36059   0.66364  -0.16513   1.00000   0.01331
Ti2   0.15006   0.66317   0.19889   1.00000   0.01313
Si   0.75231   0.90568  -0.42860   1.00000   0.01390
O1   0.64410   0.66400  -0.06230   1.00000   0.01600
O2  -0.13500   0.65930   0.00500   1.00000   0.01740
O3   0.75360   0.90150  -0.09380   1.00000   0.01620
O4   0.25439   0.55090   0.02110   1.00000   0.01500
O5   0.43790   0.54840  -0.30260   1.00000   0.01640
O6   0.44720   0.71160   0.16750   1.00000   0.01430
O7   0.25539   0.79230   0.01710   1.00000   0.01440
O8   0.06650   0.55230   0.32760   1.00000   0.01660
O9   0.06450   0.71060  -0.13380   1.00000   0.01470
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Y1 0.01340 0.01310 0.01321 0.00001 0.00079 0.00025
Er1 0.01340 0.01310 0.01321 0.00001 0.00079 0.00025
Y2 0.01340 0.01310 0.01335 -0.00008 0.00094 0.00042
Er2 0.01340 0.01310 0.01335 -0.00008 0.00094 0.00042
Ti1 0.01330 0.01470 0.01180 0.00050 0.00090 -0.00010
Ti2 0.01340 0.01400 0.01210 -0.00020 0.00130 0.00040
Si 0.01360 0.01400 0.01400 0.00000 0.00110 -0.00020
O1 0.01390 0.01720 0.01660 0.00170 0.00010 0.00030
O2 0.01660 0.01730 0.01850 -0.00140 0.00270 -0.00040
O3 0.01540 0.02010 0.01280 -0.00080 0.00010 0.00160
O4 0.01680 0.01290 0.01610 -0.00110 0.00550 -0.00240
O5 0.01650 0.01590 0.01720 -0.00070 0.00270 -0.00190
O6 0.01530 0.01520 0.01230 0.00250 0.00080 -0.00080
O7 0.01480 0.01610 0.01190 -0.00050 -0.00070 -0.00030
O8 0.01780 0.01460 0.01760 0.00140 0.00250 0.00200
O9 0.01510 0.01640 0.01260 -0.00200 0.00100 0.00060